UCSF

ZINC04175465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 28 Yes

CAS Number: 5307-59-5

Other Names:

BRD-K54411430-001-02-5

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.67 9.63 -46.78 0 6 -1 81 379.388 3
Mid Mid (pH 6-8) 4.67 8.46 -14.63 1 6 0 78 380.396 3
Mid Mid (pH 6-8) 4.67 8.84 -11.32 1 6 0 78 380.396 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )